HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q07869 | PPARA_HUMAN | Peroxisome proliferator-activated receptor alpha (PPARA)

3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep_1 ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL21241 OBDepict O N N H S CH 3 H 3 C O OH Ki = 0.0541 nM 502.77 CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O Homo sapiens CHEMBL4018961 single protein format
CHEMBL206202 OBDepict CH 3 CH 3 O OH O O Cl F F F IC50 < 1.0 nM 458.9 CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL410478 OBDepict H 3 C NH H O O HO O N CH 3 O Ki = 2.0 nM 510.59 C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O Homo sapiens CHEMBL841785 single protein format
CHEMBL424685 OBDepict CH 3 H 3 C O HO O O Cl IC50 = 2.0 nM 459.03 CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C3CCCCC3)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL173285 OBDepict H 3 C O O N O O OH Ki = 3.0 nM 445.52 CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL424674 OBDepict CH 3 H 3 C O HO O O Cl F F F IC50 = 3.0 nM 444.88 CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL382178 OBDepict CH 3 CH 3 O OH O O Cl O F F F IC50 = 3.0 nM 460.88 CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OC(F)(F)F)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL82602 OBDepict OH O O H 3 C O N CH 3 O S Ki = 4.0 nM 463.56 Cc1oc(-c2cccs2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1 Homo sapiens CHEMBL841785 single protein format
CHEMBL234659 OBDepict CH 3 O S O H 3 C O OH O F F F IC50 = 4.7 nM 492.52 COc1cc(OCC(=O)O)c(C)cc1SCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL896361 single protein format
CHEMBL203621 OBDepict CH 3 H 3 C O HO O O Cl O F IC50 = 5.0 nM 486.97 CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL369053 OBDepict CH 3 O O N O O HO Ki = 5.2 nM 445.52 CCCc1c(OCCCCOc2cccc(C(=O)O)c2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL203408 OBDepict CH 3 H 3 C O HO O O Cl O F IC50 = 6.0 nM 486.97 CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL3264926 OBDepict CH 3 N N O N O CH 3 H 3 C CH 3 CH 3 CH 3 N H O S O O IC50 = 6.6 nM 582.77 CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O Homo sapiens CHEMBL3269597 cell-based format
CHEMBL367311 OBDepict CH 3 O O N O O OH Ki = 7.0 nM 459.54 CCCc1c(OCCCCOc2ccc(CC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL369725 OBDepict CH 3 H 3 C CH 3 Cl O O O H 3 C O HO IC50 = 7.0 nM 446.97 CCC(C)(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1 Homo sapiens CHEMBL828473 single protein format
CHEMBL435523 OBDepict CH 3 O O N O O OH Ki = 7.2 nM 459.54 CCCc1c(OCCCCOc2cccc(CC(=O)O)c2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL435704 OBDepict H 3 C O O N O O HO Ki = 7.3 nM 459.54 CCCc1c(OCCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL172931 OBDepict CH 3 O O N O O OH Ki = 7.6 nM 473.57 CCCc1c(OCCCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL173494 OBDepict H 3 C O O N O O O HO Ki = 8.1 nM 461.51 CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL172490 OBDepict H 3 C O O N O O CH 3 O HO Ki = 9.3 nM 475.54 CCCc1c(OCCCOc2ccc(OC(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL205803 OBDepict CH 3 H 3 C O HO O O Cl O F F F IC50 = 10.0 nM 474.9 CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OCC(F)(F)F)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL427299 OBDepict CH 3 O O N O O HO Ki = 11.0 nM 445.52 CCCc1c(OCCOc2ccc(CCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL344282 OBDepict OH O O H 3 C H 3 C N N N H 3 C O CH 3 CH 3 IC50 = 12.0 nM 437.54 Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(C)c2=O)cc1C Homo sapiens CHEMBL765406 single protein format
CHEMBL108905 OBDepict H 3 C O O N H F F F O HO CH 3 Ki = 12.0 nM 421.42 CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)O)c1ccccc1 Homo sapiens CHEMBL766087 single protein format
CHEMBL173159 OBDepict CH 3 O O N O H 3 C H 3 C O OH Ki = 13.0 nM 501.62 CCCc1c(OCCCCOc2ccc(CC(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL367019 OBDepict H 3 C O O N S Cl O OH Ki = 14.0 nM 496.03 CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL148639 OBDepict HO O O CH 3 H 3 C N N N CH 3 O H 3 C CH 3 H 3 C IC50 = 15.0 nM 465.59 Cn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O Homo sapiens CHEMBL765406 single protein format
CHEMBL176075 OBDepict H 3 C O O HO O O Cl IC50 = 15.0 nM 473.01 CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1 Homo sapiens CHEMBL828473 single protein format
CHEMBL207103 OBDepict CH 3 O O N F F F NH O OH IC50 = 16.0 nM 436.43 CCCc1c(OCCCNc2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870175 single protein format
CHEMBL149676 OBDepict CH 3 N N O N H 3 C O CH 3 H 3 C O OH IC50 = 16.0 nM 451.57 CCCn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2ccc(C)cc2)c1=O Homo sapiens CHEMBL765406 single protein format
CHEMBL180019 OBDepict CH 3 H 3 C Cl O O O H 3 C O HO IC50 = 16.0 nM 432.94 CC(C)Cc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1 Homo sapiens CHEMBL828473 single protein format
CHEMBL263029 OBDepict CH 3 O O N O O H 3 C H 3 C O OH Ki = 17.0 nM 503.6 CCCc1c(OCCCCOc2ccc(OC(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL172492 OBDepict CH 3 O O N O O OH Ki = 18.0 nM 471.55 CCCc1c(OCCCCOc2ccc(/C=C/C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL110295 OBDepict H 3 C O O N F F F O HO CH 3 F F F Ki = 18.0 nM 489.41 CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL766087 single protein format
CHEMBL210973 OBDepict CH 3 O O N F F F O O OH IC50 = 19.0 nM 437.41 CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc2c(C(F)(F)F)noc12 Homo sapiens CHEMBL870175 single protein format
CHEMBL1783064 OBDepict OH O H 3 C H 3 C O O Cl O CH 3 CH 3 H 3 C CH 3 IC50 = 19.0 nM 487.04 CC(C)C1=CC(C)(C)Oc2cc(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)c(Cl)cc21 Homo sapiens CHEMBL867227 single protein format
CHEMBL345721 OBDepict CH 3 N N O N O H 3 C O CH 3 H 3 C O OH IC50 = 19.0 nM 467.57 CCCn1c(CCCc2ccc(OC(C)(C)C(=O)O)cc2)nn(Cc2cccc(OC)c2)c1=O Homo sapiens CHEMBL765406 single protein format
CHEMBL3780740 OBDepict OH S O O HO H 3 C O O N N N CH 3 O S O N H O IC50 = 20.0 nM 578.63 COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1.O=S(=O)(O)O Homo sapiens CHEMBL3783047 single protein format
CHEMBL3398446 OBDepict HO O H N H N N O F F F N H 3 C O IC50 = 20.0 nM 552.55 Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)c1 Homo sapiens CHEMBL3399109 single protein format
CHEMBL2113219 OBDepict OH O CH 3 H 3 C O O Cl O H 3 C H 3 C F F F IC50 = 20.0 nM 512.95 CC1(C)C=C(C(F)(F)F)c2cc(Cl)c(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)cc2O1 Homo sapiens CHEMBL867227 single protein format
CHEMBL81248 OBDepict CH 3 O N O O H 3 C O OH IC50 = 21.0 nM 457.53 Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)O)cc1 Homo sapiens CHEMBL829956 single protein format
CHEMBL484001 OBDepict OH O O H S O N CH 3 O IC50 = 21.0 nM 477.58 Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](OCC2CC2)C(=O)O)c2sccc12 Homo sapiens CHEMBL983194 cell-based format
CHEMBL485537 OBDepict CH 3 O O OH S O N CH 3 O IC50 = 22.0 nM 451.54 CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O Homo sapiens CHEMBL983194 cell-based format
CHEMBL203338 OBDepict H 3 C O OH H 3 C O O Cl O F IC50 = 22.0 nM 500.99 CCC(CC)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL202739 OBDepict CH 3 H 3 C O HO O O Cl H 3 C H 3 C IC50 = 22.0 nM 487.08 CC[C@@](C)(Cc1ccc(OCCCOc2ccc(C3CCC(C)(C)CC3)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL368371 OBDepict CH 3 O O N O CH 3 CH 3 O OH Ki = 23.0 nM 487.6 CCCc1c(OCCCCOc2ccc(C(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL187557 OBDepict H 3 C O O H H 3 C O OH H 3 C CH 3 H 3 C IC50 = 23.0 nM 410.55 CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1 Homo sapiens CHEMBL830983 single protein format
CHEMBL424133 OBDepict CH 3 N N OH N O H 3 C H 3 C O HO IC50 = 24.0 nM 409.49 Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nc2O)cc1 Homo sapiens CHEMBL765406 single protein format
CHEMBL593796 OBDepict OH O N N N N H 3 C O IC50 = 24.0 nM 416.48 Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2nccn2)cc1 Homo sapiens CHEMBL1066119 assay format
CHEMBL148774 OBDepict HO N N O N H 3 C O CH 3 H 3 C O OH IC50 = 27.0 nM 453.54 Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)n(CCO)c2=O)cc1 Homo sapiens CHEMBL765406 single protein format
CHEMBL430505 OBDepict CH 3 O H 3 C O O H 3 C O OH Ki = 28.0 nM 342.39 CCCc1cc(C(=O)OC)cc(C)c1OC(C(=O)O)c1ccccc1 Homo sapiens CHEMBL766087 single protein format
CHEMBL94306 OBDepict H 3 C O O O S O N H O IC50 = 28.0 nM 477.58 CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1 Homo sapiens CHEMBL764508 single protein format
CHEMBL519032 OBDepict CH 3 O O OH S O N CH 3 O IC50 = 28.0 nM 437.52 COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O Homo sapiens CHEMBL983194 cell-based format
CHEMBL179452 OBDepict Cl O O O H 3 C O OH IC50 = 28.0 nM 458.98 C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1 Homo sapiens CHEMBL828473 single protein format
CHEMBL484330 OBDepict CH 3 O H O OH S O N CH 3 O IC50 = 28.0 nM 437.52 CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc12)C(=O)O Homo sapiens CHEMBL983194 cell-based format
CHEMBL206759 OBDepict CH 3 H 3 C O HO O O Cl O O F F F IC50 = 28.0 nM 512.91 CC[C@@](C)(Cc1ccc(OCCCOc2cc3oc(=O)cc(C(F)(F)F)c3cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL96451 OBDepict H 3 C O O O F S O N H O IC50 = 28.0 nM 495.57 CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1 Homo sapiens CHEMBL696408 single protein format
CHEMBL179622 OBDepict H 3 C O O HO O O Cl CH 3 CH 3 IC50 = 29.0 nM 446.97 CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1 Homo sapiens CHEMBL828473 single protein format
CHEMBL94306 OBDepict H 3 C O O O S O N H O Ki = 30.0 nM 477.58 CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1 Homo sapiens CHEMBL841785 single protein format
CHEMBL202973 OBDepict H 3 C H 3 C O OH O O Cl O S O O CH 3 IC50 = 30.0 nM 470.97 CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OS(C)(=O)=O)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL206794 OBDepict F O Cl O O O H 3 C H 3 C O HO IC50 = 30.0 nM 474.91 CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL4530053 OBDepict CH 3 O O OH N N N O F F F IC50 = 32.0 nM 565.59 CCOc1ccc(-c2ccc(CCCc3nn(-c4ccc(C(F)(F)F)cc4)c(=O)n3C3CC3)cc2)cc1CC(=O)O Homo sapiens CHEMBL4332153 cell-based format
CHEMBL429823 OBDepict OH O N O N CH 3 O IC50 = 34.0 nM 506.6 Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2cccc3ccccc23)c1 Homo sapiens CHEMBL886577 single protein format
CHEMBL594034 OBDepict HO O N H N N N CH 3 O IC50 = 34.0 nM 416.48 Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)O)n2nccn2)cc1 Homo sapiens CHEMBL1066119 assay format
CHEMBL255309 OBDepict OH O N O O O N CH 3 O IC50 = 34.0 nM 538.6 Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)O)CCN(C(=O)Oc3ccccc3)C2)c1 Homo sapiens CHEMBL935696 single protein format
CHEMBL324856 OBDepict H 3 C O O N F F F O HO CH 3 CH 3 CH 3 Ki = 36.0 nM 463.5 CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccc(C(C)C)cc1 Homo sapiens CHEMBL766087 single protein format
CHEMBL323773 OBDepict H 3 C O O N F F F O HO CH 3 Ki = 37.0 nM 421.42 CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C(=O)O)c1ccccc1 Homo sapiens CHEMBL766087 single protein format
CHEMBL418874 OBDepict CH 3 O N O O S O N H O IC50 = 37.0 nM 502.59 CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1 Homo sapiens CHEMBL765405 single protein format
CHEMBL361424 OBDepict H 3 C O O HO O O Cl O F F F IC50 = 37.0 nM 474.86 CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1 Homo sapiens CHEMBL828473 single protein format
CHEMBL485188 OBDepict OH O O H S O N CH 3 O CH 3 H 3 C IC50 = 37.0 nM 519.66 Cc1oc(-c2ccc(C(C)C)cc2)nc1CCOc1ccc(C[C@H](OCC2CC2)C(=O)O)c2sccc12 Homo sapiens CHEMBL983194 cell-based format
CHEMBL319637 OBDepict CH 3 O O Cl N O OH CH 3 Ki = 38.0 nM 373.84 CCCc1c(OC(C(=O)O)c2ccccc2)c(Cl)cc2c(CC)noc12 Homo sapiens CHEMBL766087 single protein format
CHEMBL519504 OBDepict CH 3 O H O OH S O N CH 3 O IC50 = 38.0 nM 437.52 CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O Homo sapiens CHEMBL983194 cell-based format
CHEMBL361166 OBDepict H 3 C O O HO O O Cl CH 3 CH 3 IC50 = 38.0 nM 432.94 CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C(C)C)cc3Cl)cc2O1 Homo sapiens CHEMBL828473 single protein format
CHEMBL377898 OBDepict CH 3 O O OH N N CH 3 O F F F IC50 = 40.0 nM 486.49 CCCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)O Homo sapiens CHEMBL864209 single protein format
CHEMBL3398444 OBDepict H 3 C O N O H N H O HO IC50 = 40.0 nM 482.58 Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(c3ccccc3)C[C@@H]2C(=O)O)c1 Homo sapiens CHEMBL3399109 single protein format
CHEMBL367891 OBDepict Cl O O O CH 3 O OH IC50 = 40.0 nM 444.96 C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCC4)cc3Cl)cc2O1 Homo sapiens CHEMBL828473 single protein format
CHEMBL118169 OBDepict H 3 C O O O S O N H O IC50 = 42.0 nM 469.6 CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1 Homo sapiens CHEMBL765405 single protein format
CHEMBL82034 OBDepict CH 3 O N O O H 3 C O OH IC50 = 42.0 nM 457.53 Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)O)cc1 Homo sapiens CHEMBL829956 single protein format
CHEMBL205665 OBDepict CH 3 H 3 C O HO O O Cl IC50 = 42.0 nM 376.88 CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL191276 OBDepict H 3 C O O H H 3 C O OH H 3 C O H 3 C CH 3 IC50 = 43.0 nM 426.55 CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(OC(C)C)cc1 Homo sapiens CHEMBL830983 single protein format
CHEMBL484409 OBDepict CH 3 O H O OH S O N CH 3 O H 3 C H 3 C IC50 = 45.0 nM 479.6 CO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(C)C)cc3)oc2C)c2ccsc12)C(=O)O Homo sapiens CHEMBL983194 cell-based format
CHEMBL435715 OBDepict CH 3 O O N O CH 3 CH 3 O OH Ki = 46.0 nM 487.6 CCCc1c(OCCCCOc2cccc(C(C)(C)C(=O)O)c2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL122418 OBDepict H 3 C O O S O N H O IC50 = 46.0 nM 481.66 CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1 Homo sapiens CHEMBL765405 single protein format
CHEMBL369607 OBDepict CH 3 O O N O O CH 3 O OH Ki = 47.0 nM 489.57 CCCc1c(OCCCCOc2ccc(OC(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL96107 OBDepict O N H S O O O O IC50 = 47.0 nM 435.5 O=C1NC(=O)C(c2cccc(OCCCOc3ccc(Oc4ccccc4)cc3)c2)S1 Homo sapiens CHEMBL764508 single protein format
CHEMBL521007 OBDepict H 3 C O O H 3 C N O CH 3 O S O H O OH CH 3 IC50 = 48.0 nM 497.57 COc1cc(OC)cc(-c2nc(CCOc3ccc(C[C@H](OC)C(=O)O)c4sccc34)c(C)o2)c1 Homo sapiens CHEMBL983194 cell-based format
CHEMBL178309 OBDepict OH O H 3 C O O O Cl CH 3 H 3 C IC50 = 48.0 nM 418.92 CC(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1 Homo sapiens CHEMBL828473 single protein format
CHEMBL403432 OBDepict CH 3 CH 3 O N O O HO O N CH 3 O IC50 = 49.0 nM 518.61 Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)O)CCN(C(=O)OCC(C)C)C2)c1 Homo sapiens CHEMBL935696 single protein format
CHEMBL205777 OBDepict CH 3 H 3 C O HO O O CH 3 O O F F F IC50 = 49.0 nM 492.49 CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2C)cc1)C(=O)O Homo sapiens CHEMBL867227 single protein format
CHEMBL172959 OBDepict H 3 C O O N O O HO Ki = 50.0 nM 457.53 CCCc1c(OCCCOc2ccc(/C=C/C(=O)O)cc2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL364467 OBDepict CH 3 O O H 3 C O OH H 3 C IC50 = 51.0 nM 368.47 CCCc1cc(C(=O)CC)cc(CCC)c1OC(C(=O)O)c1ccccc1 Homo sapiens CHEMBL830983 single protein format
CHEMBL4533138 OBDepict CH 3 O O OH N N N CH 3 O F F F IC50 = 51.0 nM 553.58 CCOc1ccc(-c2ccc(CCCc3nn(-c4ccc(C(F)(F)F)cc4)c(=O)n3CC)cc2)cc1CC(=O)O Homo sapiens CHEMBL4332153 cell-based format
CHEMBL428748 OBDepict HO O N O N CH 3 O IC50 = 51.0 nM 484.6 Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CCCc2ccccc2)CC(=O)O)c1 Homo sapiens CHEMBL886577 single protein format
CHEMBL4476621 OBDepict S HN N H N H O Cl Cl HO IC50 = 52.0 nM 356.23 O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccc1O Homo sapiens CHEMBL4383329 single protein format
CHEMBL368793 OBDepict H 3 C O O N O O OH Ki = 53.0 nM 459.54 CCCc1c(OCCCOc2cccc(CCC(=O)O)c2)ccc2c(-c3ccccc3)noc12 Homo sapiens CHEMBL766090 single protein format
CHEMBL223350 OBDepict OH O HN O O O N N N H 3 C O IC50 = 53.0 nM 502.53 Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)Oc2cnccn2)c1 Homo sapiens CHEMBL912555 single protein format
CHEMBL484137 OBDepict CH 3 O H O OH S O N CH 3 O F F F IC50 = 53.0 nM 505.51 CO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccsc12)C(=O)O Homo sapiens CHEMBL983194 cell-based format
CHEMBL484962 OBDepict H 3 C O H O OH S O N CH 3 O IC50 = 53.0 nM 451.54 CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O Homo sapiens CHEMBL983194 cell-based format
CHEMBL278994 OBDepict H 3 C O O S Cl O OH IC50 = 54.0 nM 495.04 CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)coc12 Homo sapiens CHEMBL765404 single protein format
CHEMBL491142 OBDepict HO O N N N O N H 3 C O IC50 = 54.0 nM 494.55 Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)O)cc1 Homo sapiens CHEMBL953555 single protein format